4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H19N3O — CID 55121513

IUPAC4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(OCC3CCNCC3)n1)CCC2
InChIInChI=1S/C13H19N3O/c1-2-11-12(3-1)15-9-16-13(11)17-8-10-4-6-14-7-5-10/h9-10,14H,1-8H2
InChIKeyQVBNARCJJWYJCE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.34
Rot. Bonds3

About 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 55121513) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID55121513
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(OCC3CCNCC3)n1)CCC2
InChIInChI=1S/C13H19N3O/c1-2-11-12(3-1)15-9-16-13(11)17-8-10-4-6-14-7-5-10/h9-10,14H,1-8H2
InChIKeyQVBNARCJJWYJCE-UHFFFAOYSA-N
XLogP1.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 55121513) is 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1nc2c(c(OCC3CCNCC3)n1)CCC2.
What is the InChIKey of 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is QVBNARCJJWYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-11-12(3-1)15-9-16-13(11)17-8-10-4-6-14-7-5-10/h9-10,14H,1-8H2.
What are the key properties of 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 233.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 55121513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).